GROMACS version: 2020.4
i got this problem
gmx: not found
the code is
for i in 0 .. 35 $
do
gmx grompp -f nvt_$i.mdp -c em.gro -p topol.top -o remd_$i.tpr
done
gmx -np 37 -v -deffnm remd -multidir sim1... sim35 -replex 500 >> remd.log
while i installed gromax and tested the command gmx and got
:-) GROMACS - gmx, 2020.4 (-:
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GROMACS: gmx, version 2020.4
Executable: /usr/local/gromacs/bin/gmx
Data prefix: /usr/local/gromacs
Working dir: /home/samar
Command line:
gmx
SYNOPSIS
gmx [-[no]h] [-[no]quiet] [-[no]version] [-[no]copyright] [-nice <int>]
[-[no]backup]
OPTIONS
Other options:
-[no]h (no)
Print help and quit
-[no]quiet (no)
Do not print common startup info or quotes
-[no]version (no)
Print extended version information and quit
-[no]copyright (yes)
Print copyright information on startup
-nice <int> (19)
Set the nicelevel (default depends on command)
-[no]backup (yes)
Write backups if output files exist
Additional help is available on the following topics:
commands List of available commands
selections Selection syntax and usage
To access the help, use 'gmx help <topic>'.
For help on a command, use 'gmx help <command>'.
GROMACS reminds you: "The Poodle Chews It" (F. Zappa)